N-[2-(4-methoxyphenyl)-2-oxoethyl]pyridine-3-carboxamide

• ChemBase ID: 227524
• Molecular Formular: C15H14N2O3
• Molecular Mass: 270.28326
• Monoisotopic Mass: 270.10044232
• SMILES: C(=O)(c1cnccc1)NCC(=O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)CNC(=O)c1cccnc1
• InChI: InChI=1S/C15H14N2O3/c1-20-13-6-4-11(5-7-13)14(18)10-17-15(19)12-3-2-8-16-9-12/h2-9H,10H2,1H3,(H,17,19)
• InChIKey: UTUMLLKOWXXAFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methoxyphenyl)-2-oxoethyl]pyridine-3-carboxamide
• IUPAC Traditional name: N-[2-(4-methoxyphenyl)-2-oxoethyl]pyridine-3-carboxamide

Database IDs

• PubChem SID: 164283434
• PubChem CID: 21814056

CALCULATED PROPERTIES

• Acid pKa: 13.798427
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.89937365
• LogD (pH = 7.4): 0.90437645
• Log P: 0.9044408
• Molar Refractivity: 74.2411 cm^3
• Polarizability: 28.119825 Å^3
• Polar Surface Area: 68.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds